PHYSICAL INTERPRETATION AND ASSESSMENT OF THE COULOMB-HOLE AND SCREENED-EXCHANGE APPROXIMATION FOR MOLECULES

被引：26
作者：
CASIDA, ME
CHONG, DP
机构：
来源：
PHYSICAL REVIEW A | 1989年 / 40卷 / 09期
关键词：
D O I：
10.1103/PhysRevA.40.4837
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
引用
收藏
页码：4837 / 4848
页数：12
相关论文
共 68 条
[1]   ELECTRON MOMENTUM SPECTROSCOPY OF THE VALENCE ORBITALS OF H2O AND D2O - QUANTITATIVE COMPARISONS USING HARTREE-FOCK LIMIT AND CORRELATED WAVE-FUNCTIONS [J].
BAWAGAN, AO ;
BRION, CE ;
DAVIDSON, ER ;
FELLER, D .
CHEMICAL PHYSICS, 1987, 113 (01) :19-42
[2]   ANALYTICAL TREATMENT OF BAND-GAP UNDERESTIMATES IN THE LOCAL-DENSITY APPROXIMATION [J].
BECHSTEDT, F ;
DELSOLE, R .
PHYSICAL REVIEW B, 1988, 38 (11) :7710-7716
[3]  
BERKOWITZ J, 1973, CHEM PHYS LETT, V19, P334, DOI 10.1016/0009-2614(73)80372-0
[4]  
BINKLEY JS, 1978, QCPE368
[5]   ELEMENTARY FINITE ORDER PERTURBATION-THEORY FOR VERTICAL IONIZATION ENERGIES [J].
BORN, G ;
KURTZ, HA ;
OHRN, Y .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (01) :74-85
[6]   SCREENED-EXCHANGE PLUS COULOMB-HOLE CORRELATED HARTREE-FOCK ENERGY-BANDS FOR LIF [J].
BRENER, NE .
PHYSICAL REVIEW B, 1975, 11 (04) :1600-1608
[7]   CORRELATED HARTREE-FOCK ENERGY-BANDS FOR DIAMOND [J].
BRENER, NE .
PHYSICAL REVIEW B, 1975, 11 (02) :929-934
[8]   CRYSTAL POTENTIAL AND CORRELATION FOR ENERGY BANDS IN VALENCE SEMICONDUCTORS [J].
BRINKMAN, W ;
GOODMAN, B .
PHYSICAL REVIEW, 1966, 149 (02) :597-&
[9]   LOOKING AT ORBITALS IN THE LABORATORY - THE EXPERIMENTAL INVESTIGATION OF MOLECULAR WAVE-FUNCTIONS AND BINDING-ENERGIES BY ELECTRON MOMENTUM SPECTROSCOPY [J].
BRION, CE .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, 29 (05) :1397-1428
[10]   HIGH RESOLUTION MOLECULAR PHOTOELECTRON SPECTROSCOPY .2. WATER AND DEUTERIUM OXIDE [J].
BRUNDLE, CR ;
TURNER, DW .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1968, 307 (1488) :27-&
1234567